Calculation of hydration sites of amino-acid conformers

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F14%3A00451955" target="_blank" >RIV/86652036:_____/14:00451955 - isvavai.cz</a>

Result on the web

<a href="http://www.dnatco.org/atlas/refine/" target="_blank" >http://www.dnatco.org/atlas/refine/</a>

DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Calculation of hydration sites of amino-acid conformers

Original language description

Program converts clusters of hydrated amino-acid conformers into electron density, calculates crystallographic structure factors, finds hydration site positions as peaks in the electron density and performs "refinement" of the positions, calculating pseudo-ocuppancies and pseudo-B-factors of the hydration sites. n

Czech name

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Czech description

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Type

R - Software

CEP classification

BO - Biophysics

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Internal product ID

refine.sh

Technical parameters

BASH script, licence GPL 3

Economical parameters

typový projekt

Owner IČO

86652036

Owner name

Biotechnologický ústav AV ČR, v. v. i.